Crystallography Open Database

Information card for entry 1517394

Preview

Coordinates	1517394.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H26 O6
Calculated formula	C15 H26 O6
SMILES	O1[C@]2(O[C@@H]([C@@H](OC)[C@H](OC)C2)CO)CCC[C@@]21OCCC2
Title of publication	An Approach toward Constructing the Trioxadispiroketal Core in the DEF-Ring of (+)-Spirastrellolide A.
Authors of publication	Wu, Yi-Biao; Tang, Yu; Luo, Guo-Ying; Chen, Yang; Hsung, Richard P.
Journal of publication	Organic letters
Year of publication	2014
Journal volume	16
Journal issue	17
Pages of publication	4550
a	8.7271 ± 0.0012 Å
b	10.0996 ± 0.0014 Å
c	18.599 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1639.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1122
Weighted residual factors for all reflections included in the refinement	0.129
Goodness-of-fit parameter for all reflections included in the refinement	0.98
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517394.cif
123138	2014-09-06	cif/ Updating files of 1517394 Original log message: Adding full bibliography for 1517394.cif.	1517394.cif
122172	2014-08-18	cif/ Adding structures of 1517394 via cif-deposit CGI script.	1517394.cif